6-fluoroquinoxaline-2,3-dione

C8H3FN2O2 — CID 78199524

IUPAC6-fluoroquinoxaline-2,3-dione
SMILESO=C1N=c2ccc(F)cc2=NC1=O
InChIInChI=1S/C8H3FN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H
InChIKeyXPHHFQBFRUQIBF-UHFFFAOYSA-N
MW178.12 g/mol
LogP-0.87
Rot. Bonds

About 6-fluoroquinoxaline-2,3-dione

6-fluoroquinoxaline-2,3-dione (PubChem CID 78199524) has the molecular formula C8H3FN2O2 and a molecular weight of 178.12 g/mol. Its IUPAC name is 6-fluoroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-fluoroquinoxaline-2,3-dione
PubChem CID78199524
Molecular FormulaC8H3FN2O2
Molecular Weight178.12 g/mol
Exact Mass178.02
IUPAC Name6-fluoroquinoxaline-2,3-dione
SMILESO=C1N=c2ccc(F)cc2=NC1=O
InChIInChI=1S/C8H3FN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H
InChIKeyXPHHFQBFRUQIBF-UHFFFAOYSA-N
XLogP-0.87
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Quinoxalinedione
CID 11469229
5-Fluoro-8-methyl quinoxaline-2,3-dione
CID 129884348
7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
2,3-Dioxo-2,3-dihydroquinoxaline-6-carbonitrile
CID 17800807
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
3-Oxochinoxalin
CID 57169914
6-Chloroquinoxaline-2,3-dione
CID 70258835
5,6,7-Trifluoroquinoxaline-2,3-dione
CID 53876232
6-(Trifluoromethyl)quinoxaline-2,3-dione
CID 54314193
6-Chloro-5,7-difluoroquinoxaline-2,3-dione
CID 54384976
Benzo[g]quinoxalinedione
CID 85280093
C8H2BrFN2O2
CID 53921959

Frequently Asked Questions

What is the IUPAC name of 6-fluoroquinoxaline-2,3-dione?
The IUPAC name of 6-fluoroquinoxaline-2,3-dione (CID 78199524) is 6-fluoroquinoxaline-2,3-dione.
What is the SMILES notation for 6-fluoroquinoxaline-2,3-dione?
The canonical SMILES for 6-fluoroquinoxaline-2,3-dione is O=C1N=c2ccc(F)cc2=NC1=O.
What is the InChIKey of 6-fluoroquinoxaline-2,3-dione?
The InChIKey is XPHHFQBFRUQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H.
What are the key properties of 6-fluoroquinoxaline-2,3-dione?
6-fluoroquinoxaline-2,3-dione has a molecular weight of 178.12 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroquinoxaline-2,3-dione is sourced from PubChem (CID 78199524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).